#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e8p n SER 2 N 0.00 0.00 0.05 1.61 7.64 -1.26 -4.95 113.62 116.71 2e8p n SER 2 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 2e8p n SER 2 Cb 0.00 0.09 -0.14 0.00 -1.01 0.00 0.00 64.21 63.15 2e8p n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2e8p h SER 3 N 0.00 0.51 -1.25 6.43 0.02 -2.14 -3.51 113.55 113.61 2e8p h SER 3 Ca 0.00 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 60.05 2e8p h SER 3 Cb 0.00 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2e8p h SER 3 CO 0.00 1.65 0.00 0.61 -1.14 0.00 0.00 176.83 177.95 2e8p n GLY 4 N 1.77 -0.86 3.63 -3.77 0.00 -1.26 -5.06 105.19 99.64 2e8p n GLY 4 Ca -0.23 -2.14 -0.28 0.00 0.00 0.00 0.00 46.02 43.37 2e8p n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e8p s SER 5 N -4.00 3.79 -0.03 1.61 1.04 -1.26 -5.08 113.70 109.77 2e8p s SER 5 Ca 0.00 -1.42 -0.20 0.00 0.48 0.00 0.00 55.95 54.81 2e8p s SER 5 Cb 0.00 -0.21 -0.13 0.00 0.10 0.00 0.00 66.02 65.78 2e8p s SER 5 CO 0.00 -0.54 0.86 -1.28 0.98 0.00 0.00 173.24 173.26 2e8p h SER 6 N 1.73 -0.41 -3.37 7.02 0.87 -2.08 -3.49 113.55 113.81 2e8p h SER 6 Ca -0.44 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 2e8p h SER 6 Cb 1.25 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2e8p h SER 6 CO 0.79 0.04 -0.14 0.61 -0.53 0.00 0.00 176.83 177.59 2e8p n GLY 7 N 0.20 -2.39 3.80 5.77 0.00 -1.26 -5.06 105.19 106.25 2e8p n GLY 7 Ca -0.08 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 2e8p n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2e8p s GLN 8 N -0.58 3.19 -0.99 1.61 -2.07 -1.26 -5.04 119.66 114.53 2e8p s GLN 8 Ca 0.01 -0.35 -0.23 0.00 -1.82 0.00 0.00 55.36 52.97 2e8p s GLN 8 Cb -0.00 -2.96 0.04 0.00 -1.09 0.00 0.00 33.01 29.00 2e8p s GLN 8 CO 0.13 0.70 1.47 1.41 -1.32 0.00 0.00 175.29 177.68 2e8p s MET 9 N -1.39 3.49 -0.46 9.60 -2.45 -1.26 -4.89 119.30 121.94 2e8p s MET 9 Ca 0.19 -1.00 0.02 0.00 -1.25 0.00 0.00 55.69 53.65 2e8p s MET 9 Cb -0.12 -5.26 0.14 0.00 1.25 0.00 0.00 34.83 30.83 2e8p s MET 9 CO 0.09 -2.29 0.26 -1.12 1.05 0.00 0.00 175.02 173.02 2e8p s SER 10 N 5.12 3.66 0.03 1.11 0.01 -1.26 -5.10 113.70 117.28 2e8p s SER 10 Ca 0.47 -2.73 0.01 0.00 1.31 0.00 0.00 55.95 55.01 2e8p s SER 10 Cb -0.01 -1.08 -0.02 0.00 0.21 0.00 0.00 66.02 65.12 2e8p s SER 10 CO -0.08 -0.25 -0.05 -0.76 0.41 0.00 0.00 173.24 172.51 2e8p s LEU 11 N 0.21 2.25 0.28 2.44 1.02 -1.26 -5.17 118.68 118.44 2e8p s LEU 11 Ca 0.19 -0.52 0.12 0.00 0.02 0.00 0.00 54.13 53.93 2e8p s LEU 11 Cb -0.22 -0.04 -0.05 0.00 0.02 0.00 0.00 46.19 45.90 2e8p s LEU 11 CO -0.01 -0.25 -0.17 -0.70 0.02 0.00 0.00 176.35 175.24 2e8p s GLU 12 N -1.51 1.78 -0.11 1.70 2.56 -1.26 -5.06 118.70 116.81 2e8p s GLU 12 Ca -0.13 -1.71 0.05 0.00 0.00 0.00 0.00 54.97 53.18 2e8p s GLU 12 Cb -0.10 -1.83 -0.10 0.00 2.00 0.00 0.00 34.13 34.10 2e8p s GLU 12 CO -0.00 0.34 -0.03 0.41 -0.56 0.00 0.00 175.26 175.41 2e8p n GLY 13 N -0.66 -0.32 3.64 -1.50 0.00 -1.26 -5.05 105.19 100.04 2e8p n GLY 13 Ca -0.05 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 2e8p n GLY 13 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2e8p s THR 14 N -2.23 0.00 0.18 2.61 -1.32 -1.26 -5.17 115.64 108.45 2e8p s THR 14 Ca -0.10 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.48 2e8p s THR 14 Cb 0.03 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.98 2e8p s THR 14 CO 0.33 0.00 -0.19 -1.61 -2.21 0.00 0.00 174.62 170.95 2e8p s GLU 15 N 1.00 1.72 0.61 7.08 0.41 -1.26 -5.06 118.70 123.21 2e8p s GLU 15 Ca -0.05 -1.41 0.00 0.00 -0.41 0.00 0.00 54.97 53.10 2e8p s GLU 15 Cb -0.05 -1.97 0.00 0.00 -1.78 0.00 0.00 34.13 30.33 2e8p s GLU 15 CO -0.11 0.42 0.00 1.63 -0.49 0.00 0.00 175.26 176.71 2e8p n LYS 16 N 0.22 -2.03 -5.28 1.61 4.76 -1.26 -4.85 118.16 111.34 2e8p n LYS 16 Ca -0.12 1.33 -0.31 0.00 -2.87 0.00 0.00 58.31 56.34 2e8p n LYS 16 Cb 0.56 -2.47 -0.16 0.00 -1.84 0.00 0.00 35.03 31.11 2e8p n LYS 16 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2e8p s ALA 17 N -2.04 2.17 0.33 7.82 0.00 -1.26 -5.00 121.76 123.78 2e8p s ALA 17 Ca 0.00 -1.08 0.37 0.00 0.00 0.00 0.00 51.96 51.25 2e8p s ALA 17 Cb 0.00 -0.63 1.94 0.00 0.00 0.00 0.00 23.12 24.43 2e8p s ALA 17 CO 0.00 0.46 2.12 0.66 0.00 0.00 0.00 175.76 179.01 2e8p h SER 18 N 5.84 0.00 -0.29 0.00 4.64 -1.95 0.09 113.55 121.88 2e8p h SER 18 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2e8p h SER 18 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2e8p h SER 18 CO 0.47 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.76 2e8p n TRP 19 N -2.84 0.88 -3.80 4.77 4.27 -1.26 -4.91 117.44 114.56 2e8p n TRP 19 Ca -0.02 -0.79 -0.36 0.00 -3.89 0.00 0.00 57.50 52.44 2e8p n TRP 19 Cb 0.10 -0.26 -0.12 0.00 -1.36 0.00 0.00 31.31 29.67 2e8p n TRP 19 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 2e8p s LEU 20 N -2.43 3.56 0.00 5.67 1.43 0.02 -4.36 118.68 122.57 2e8p s LEU 20 Ca 0.39 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2e8p s LEU 20 Cb 0.30 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.57 2e8p s LEU 20 CO 0.11 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.30 2e8p n GLY 21 N 4.69 2.48 3.30 -3.19 0.00 -1.26 -4.80 105.19 106.41 2e8p n GLY 21 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 2e8p n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e8p s GLU 22 N -0.35 1.74 0.93 1.61 2.56 -1.26 -5.13 118.70 118.81 2e8p s GLU 22 Ca 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 54.97 53.87 2e8p s GLU 22 Cb 0.00 -1.83 0.15 0.00 2.00 0.00 0.00 34.13 34.45 2e8p s GLU 22 CO 0.00 0.48 1.11 1.04 -0.56 0.00 0.00 175.26 177.33 2e8p n GLN 23 N 2.00 -0.54 0.00 4.30 6.02 -1.26 -4.87 117.38 123.03 2e8p n GLN 23 Ca -0.17 -0.09 0.07 0.00 -0.01 0.00 0.00 57.00 56.80 2e8p n GLN 23 Cb 0.52 -2.35 0.33 0.00 1.02 0.00 0.00 30.24 29.76 2e8p n GLN 23 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2e8p n PRO 24 N -4.17 0.07 0.10 -1.09 -0.04 -1.26 -2.25 135.00 126.36 2e8p n PRO 24 Ca 0.11 0.22 0.04 0.00 -0.04 0.00 0.00 63.50 63.83 2e8p n PRO 24 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 2e8p n PRO 24 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2e8p h GLN 25 N 0.00 0.00 -1.37 0.54 4.20 -1.90 -3.35 115.11 113.24 2e8p h GLN 25 Ca 0.00 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.06 2e8p h GLN 25 Cb 0.21 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 27.64 2e8p h GLN 25 CO 0.00 0.30 0.07 1.19 -0.67 0.00 0.00 178.83 179.72 2e8p n PHE 26 N -3.01 3.11 -3.62 2.96 3.01 -0.95 -2.96 117.46 116.00 2e8p n PHE 26 Ca -0.02 -2.68 -0.22 0.00 1.01 0.00 0.00 57.45 55.54 2e8p n PHE 26 Cb 0.73 -0.72 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 2e8p n PHE 26 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2e8p s TRP 27 N -3.76 3.39 0.39 1.38 0.52 -1.25 -4.84 118.94 114.76 2e8p s TRP 27 Ca 0.53 0.08 0.08 0.00 0.02 0.00 0.00 56.10 56.80 2e8p s TRP 27 Cb 0.44 -1.80 -0.03 0.00 -1.15 0.00 0.00 33.47 30.92 2e8p s TRP 27 CO -0.16 0.20 0.30 -1.12 0.02 0.00 0.00 176.95 176.18 2e8p s SER 28 N -4.05 4.96 0.58 2.95 0.01 -0.52 -3.08 113.70 114.56 2e8p s SER 28 Ca 0.39 -0.74 0.28 0.00 1.31 0.00 0.00 55.95 57.19 2e8p s SER 28 Cb -0.09 -0.67 1.67 0.00 0.21 0.00 0.00 66.02 67.13 2e8p s SER 28 CO 0.32 -0.52 2.14 0.11 0.41 0.00 0.00 173.24 175.70 2e8p h LYS 29 N 1.21 0.00 0.11 12.44 1.57 -1.79 -2.06 116.57 128.05 2e8p h LYS 29 Ca -0.43 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.09 2e8p h LYS 29 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 2e8p h LYS 29 CO 0.60 0.00 -1.33 1.15 -0.57 0.00 0.00 179.45 179.30 2e8p h THR 30 N 0.00 1.08 -0.29 -0.16 2.02 -1.91 -3.31 112.91 110.33 2e8p h THR 30 Ca 0.06 -2.40 0.06 0.00 0.77 0.00 0.00 66.41 64.91 2e8p h THR 30 Cb 0.35 2.74 -0.06 0.00 -1.74 0.00 0.00 68.15 69.44 2e8p h THR 30 CO -0.00 0.68 -0.11 1.56 0.37 0.00 0.00 175.52 178.03 2e8p h GLN 31 N -0.36 -0.05 0.12 6.66 4.20 -1.71 0.15 115.11 124.12 2e8p h GLN 31 Ca -0.29 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.43 2e8p h GLN 31 Cb 1.71 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.47 2e8p h GLN 31 CO 0.05 -0.03 -0.35 0.28 -0.67 0.00 0.00 178.83 178.11 2e8p h VAL 32 N -0.05 0.00 -0.97 -0.54 2.07 -1.57 0.25 116.25 115.45 2e8p h VAL 32 Ca 0.15 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.81 2e8p h VAL 32 Cb 0.27 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.96 2e8p h VAL 32 CO -0.33 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 177.81 2e8p h LEU 33 N -0.53 0.82 -1.39 2.57 3.38 -1.60 0.15 115.31 118.70 2e8p h LEU 33 Ca -0.01 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2e8p h LEU 33 Cb 0.52 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2e8p h LEU 33 CO -0.17 0.41 -0.21 0.44 0.09 0.00 0.00 178.44 179.00 2e8p h ASP 34 N 0.86 0.13 0.44 -0.43 5.19 0.04 -2.51 116.42 120.15 2e8p h ASP 34 Ca 0.50 -0.03 -0.18 0.00 -0.62 0.00 0.00 57.03 56.70 2e8p h ASP 34 Cb 0.64 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 2e8p h ASP 34 CO -0.27 0.35 -0.75 -0.25 -3.12 0.00 0.00 179.24 175.20 2e8p h TRP 35 N 0.13 0.35 0.25 4.55 7.01 0.23 -3.26 115.95 125.21 2e8p h TRP 35 Ca 0.02 -0.16 -0.01 0.00 2.11 0.00 0.00 58.89 60.85 2e8p h TRP 35 Cb 0.45 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.46 2e8p h TRP 35 CO 0.00 0.91 -0.12 0.82 -2.79 0.00 0.00 178.44 177.26 2e8p h ILE 36 N 0.17 0.76 -0.95 2.65 2.04 -0.88 -2.47 117.51 118.83 2e8p h ILE 36 Ca -0.03 -0.03 0.21 0.00 1.00 0.00 0.00 64.86 66.01 2e8p h ILE 36 Cb 1.32 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 38.10 2e8p h ILE 36 CO 0.12 0.01 0.62 -1.28 0.00 0.00 0.00 178.15 177.61 2e8p h SER 37 N -0.35 0.50 -0.30 1.72 0.87 -1.60 0.31 113.55 114.70 2e8p h SER 37 Ca -0.03 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2e8p h SER 37 Cb 0.27 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2e8p h SER 37 CO 0.06 0.18 0.16 0.22 -0.53 0.00 0.00 176.83 176.92 2e8p h TYR 38 N 0.49 0.42 0.00 2.24 3.20 -1.49 0.15 116.97 121.98 2e8p h TYR 38 Ca 0.51 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.32 2e8p h TYR 38 Cb 1.16 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2e8p h TYR 38 CO -0.00 0.35 -0.25 1.96 -1.64 0.00 0.00 178.16 178.58 2e8p h GLN 39 N 0.36 0.00 0.00 1.82 1.08 -0.80 -1.91 115.11 115.67 2e8p h GLN 39 Ca 0.11 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.14 2e8p h GLN 39 Cb 0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2e8p h GLN 39 CO -0.02 0.25 -0.78 0.28 -0.95 0.00 0.00 178.83 177.62 2e8p h VAL 40 N 0.00 1.34 0.00 -0.54 2.07 -0.05 -3.00 116.25 116.08 2e8p h VAL 40 Ca -0.00 -2.88 -0.17 0.00 0.82 0.00 0.00 66.70 64.47 2e8p h VAL 40 Cb 1.02 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 33.42 2e8p h VAL 40 CO 0.03 0.76 -1.39 -0.08 0.02 0.00 0.00 177.57 176.92 2e8p h GLU 41 N 0.00 0.00 0.02 1.57 4.57 -0.66 -1.61 114.58 118.48 2e8p h GLU 41 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2e8p h GLU 41 Cb 1.59 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.18 2e8p h GLU 41 CO 0.10 0.29 -0.01 0.87 -1.18 0.00 0.00 179.01 179.08 2e8p h LYS 42 N 0.00 -0.03 -0.00 1.92 6.56 -1.41 -3.12 116.57 120.50 2e8p h LYS 42 Ca -0.16 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.43 2e8p h LYS 42 Cb 1.58 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.25 2e8p h LYS 42 CO 0.05 0.52 -0.01 0.09 -2.06 0.00 0.00 179.45 178.04 2e8p n ASN 43 N -4.83 0.12 -1.42 0.86 3.02 -1.13 -4.87 115.26 107.00 2e8p n ASN 43 Ca -0.09 -0.85 -0.17 0.00 -0.03 0.00 0.00 54.58 53.44 2e8p n ASN 43 Cb 0.29 -0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.33 2e8p n ASN 43 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2e8p n LYS 44 N -0.97 -1.24 -1.63 3.52 5.02 -1.18 -4.91 118.16 116.77 2e8p n LYS 44 Ca 0.21 1.08 -0.45 0.00 -2.02 0.00 0.00 58.31 57.14 2e8p n LYS 44 Cb 0.16 -5.35 -0.02 0.00 -0.02 0.00 0.00 35.03 29.80 2e8p n LYS 44 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2e8p n TYR 45 N -2.67 1.68 -0.17 2.13 9.36 -0.61 -4.82 117.16 122.05 2e8p n TYR 45 Ca -0.18 0.61 0.24 0.00 3.32 0.00 0.00 57.90 61.89 2e8p n TYR 45 Cb 0.58 -2.33 0.64 0.00 -0.63 0.00 0.00 39.34 37.60 2e8p n TYR 45 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 2e8p h ASP 46 N 2.77 0.15 -1.72 2.98 3.58 -1.91 -3.45 116.42 118.82 2e8p h ASP 46 Ca -0.43 0.02 -0.37 0.00 0.42 0.00 0.00 57.03 56.67 2e8p h ASP 46 Cb 1.31 -0.01 -0.09 0.00 1.72 0.00 0.00 39.33 42.27 2e8p h ASP 46 CO 0.65 0.06 -0.40 0.00 -2.88 0.00 0.00 179.24 176.67 2e8p n ALA 47 N -2.63 -0.41 -1.20 -0.78 0.00 -1.26 -4.86 120.51 109.37 2e8p n ALA 47 Ca 0.17 0.23 -0.07 0.00 0.00 0.00 0.00 53.44 53.77 2e8p n ALA 47 Cb 0.81 -1.93 0.24 0.00 0.00 0.00 0.00 19.45 18.57 2e8p n ALA 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2e8p n SER 48 N -1.23 3.75 0.00 0.00 3.41 -1.26 -4.41 113.62 113.88 2e8p n SER 48 Ca -0.20 -3.44 0.00 0.00 -0.26 0.00 0.00 58.87 54.97 2e8p n SER 48 Cb 0.63 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2e8p n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2e8p n ALA 49 N -0.72 1.94 -1.68 7.33 0.00 -1.26 -5.04 120.51 121.08 2e8p n ALA 49 Ca 0.40 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.37 2e8p n ALA 49 Cb 1.27 0.29 -0.04 0.00 0.00 0.00 0.00 19.45 20.96 2e8p n ALA 49 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2e8p n ILE 50 N -2.01 0.46 0.12 0.00 5.41 -1.26 -4.67 119.36 117.41 2e8p n ILE 50 Ca 0.00 -0.08 -0.02 0.00 1.00 0.00 0.00 62.75 63.65 2e8p n ILE 50 Cb 0.32 -1.88 0.18 0.00 -0.71 0.00 0.00 39.64 37.54 2e8p n ILE 50 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2e8p h ASP 51 N 8.60 0.09 -2.53 4.38 3.58 -1.93 -3.47 116.42 125.13 2e8p h ASP 51 Ca -0.48 -0.05 -0.33 0.00 0.42 0.00 0.00 57.03 56.59 2e8p h ASP 51 Cb 1.26 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 42.22 2e8p h ASP 51 CO 0.93 0.65 -0.38 0.49 -2.88 0.00 0.00 179.24 178.06 2e8p n PHE 52 N -3.86 -0.81 0.00 0.28 3.72 -1.26 -4.72 117.46 110.80 2e8p n PHE 52 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2e8p n PHE 52 Cb 0.59 -3.19 0.00 0.00 -0.94 0.00 0.00 39.48 35.94 2e8p n PHE 52 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2e8p n SER 53 N -1.49 2.60 0.16 4.37 7.64 -1.26 -4.77 113.62 120.88 2e8p n SER 53 Ca -0.18 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.74 2e8p n SER 53 Cb 0.60 0.04 0.15 0.00 -1.01 0.00 0.00 64.21 63.99 2e8p n SER 53 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2e8p h ARG 54 N 0.00 0.00 -5.25 1.43 3.08 -1.91 -3.39 114.38 108.33 2e8p h ARG 54 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 2e8p h ARG 54 Cb 0.63 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 2e8p h ARG 54 CO 0.00 0.45 1.77 0.00 -1.07 0.00 0.00 179.97 181.11 2e8p n ASP 56 N 10.88 3.48 -4.69 0.00 8.00 -1.26 -4.95 116.55 128.01 2e8p n ASP 56 Ca 0.47 -1.98 -0.42 0.00 0.71 0.00 0.00 54.79 53.58 2e8p n ASP 56 Cb 0.45 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 2e8p n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e8p s MET 57 N -1.07 4.32 0.04 -1.24 0.23 -1.26 -4.93 119.30 115.38 2e8p s MET 57 Ca 0.38 1.81 -0.19 0.00 -1.03 0.00 0.00 55.69 56.66 2e8p s MET 57 Cb 0.20 -3.55 -0.17 0.00 -1.53 0.00 0.00 34.83 29.78 2e8p s MET 57 CO 0.27 -0.50 1.25 0.38 -2.03 0.00 0.00 175.02 174.39 2e8p h ASP 58 N 7.59 0.53 0.00 -1.18 2.03 -1.84 -3.41 116.42 120.14 2e8p h ASP 58 Ca -0.36 -0.61 0.00 0.00 -0.73 0.00 0.00 57.03 55.33 2e8p h ASP 58 Cb 1.17 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.52 2e8p h ASP 58 CO 0.89 1.04 0.00 0.61 -1.03 0.00 0.00 179.24 180.75 2e8p n GLY 59 N 0.58 -1.49 0.38 7.15 0.00 -1.18 -1.43 105.19 109.20 2e8p n GLY 59 Ca -0.07 0.62 0.18 0.00 0.00 0.00 0.00 46.02 46.74 2e8p n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e8p h ALA 60 N 0.00 2.32 0.00 4.61 0.00 -1.69 0.19 119.26 124.68 2e8p h ALA 60 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2e8p h ALA 60 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2e8p h ALA 60 CO 0.00 -0.49 -0.50 1.15 0.00 0.00 0.00 179.25 179.42 2e8p h THR 61 N 0.19 0.91 -0.05 0.00 2.02 -1.91 -2.97 112.91 111.11 2e8p h THR 61 Ca 0.30 -2.09 -0.02 0.00 0.77 0.00 0.00 66.41 65.36 2e8p h THR 61 Cb 0.91 2.31 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 2e8p h THR 61 CO -0.05 0.49 -0.06 0.25 0.37 0.00 0.00 175.52 176.51 2e8p h LEU 62 N 0.00 0.14 -1.63 2.58 5.85 -0.96 0.58 115.31 121.86 2e8p h LEU 62 Ca -0.00 -0.51 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 2e8p h LEU 62 Cb 1.27 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 2e8p h LEU 62 CO 0.06 0.62 -0.16 0.00 -0.34 0.00 0.00 178.44 178.63 2e8p h ASN 64 N 0.00 0.00 -2.70 0.00 2.35 -1.44 -3.47 115.58 110.32 2e8p h ASN 64 Ca -0.00 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.26 2e8p h ASN 64 Cb 0.49 0.00 0.23 0.00 0.05 0.00 0.00 38.32 39.08 2e8p h ASN 64 CO 0.02 0.60 -0.92 0.00 -1.65 0.00 0.00 177.43 175.48 2e8p s ALA 66 N -2.29 3.73 0.09 0.00 0.00 -1.26 -5.01 121.76 117.03 2e8p s ALA 66 Ca 0.56 -1.34 -0.36 0.00 0.00 0.00 0.00 51.96 50.83 2e8p s ALA 66 Cb -0.15 -1.49 -0.16 0.00 0.00 0.00 0.00 23.12 21.32 2e8p s ALA 66 CO 0.67 0.25 1.56 1.25 0.00 0.00 0.00 175.76 179.48 2e8p h LEU 67 N 1.35 -1.48 -1.19 0.00 5.85 -1.98 -1.70 115.31 116.16 2e8p h LEU 67 Ca -0.50 0.13 0.19 0.00 0.84 0.00 0.00 57.88 58.54 2e8p h LEU 67 Cb 1.23 0.51 -0.09 0.00 0.37 0.00 0.00 40.66 42.68 2e8p h LEU 67 CO 0.61 -0.63 0.61 -0.33 -0.34 0.00 0.00 178.44 178.36 2e8p h GLU 68 N -0.92 0.64 0.26 1.25 5.08 -1.98 -1.69 114.58 117.22 2e8p h GLU 68 Ca -0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2e8p h GLU 68 Cb 0.84 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2e8p h GLU 68 CO -0.15 0.42 -0.29 0.93 -1.00 0.00 0.00 179.01 178.93 2e8p h GLU 69 N 0.66 -0.57 -0.14 2.33 5.08 -1.74 -0.91 114.58 119.30 2e8p h GLU 69 Ca 0.53 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.97 2e8p h GLU 69 Cb 0.96 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2e8p h GLU 69 CO -0.29 -0.38 0.15 -0.07 -1.00 0.00 0.00 179.01 177.41 2e8p h LEU 70 N -0.59 0.00 0.00 1.33 3.38 -0.58 0.23 115.31 119.07 2e8p h LEU 70 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2e8p h LEU 70 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2e8p h LEU 70 CO -0.08 0.00 -0.14 0.03 0.09 0.00 0.00 178.44 178.34 2e8p h ARG 71 N 0.00 0.00 0.00 1.13 3.08 -0.74 -0.56 114.38 117.29 2e8p h ARG 71 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2e8p h ARG 71 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2e8p h ARG 71 CO -0.00 0.13 -1.06 1.28 -1.07 0.00 0.00 179.97 179.26 2e8p n LEU 72 N -3.13 0.63 -0.08 3.04 4.32 0.69 -2.03 117.00 120.43 2e8p n LEU 72 Ca 0.03 0.11 -0.07 0.00 -0.02 0.00 0.00 56.01 56.07 2e8p n LEU 72 Cb 0.58 -0.09 -0.15 0.00 -1.62 0.00 0.00 43.42 42.14 2e8p n LEU 72 CO 0.36 -0.04 -1.07 0.52 -1.22 0.00 0.00 177.39 175.94 2e8p n VAL 73 N -2.20 1.13 -1.30 4.08 0.31 -0.48 -4.47 118.33 115.39 2e8p n VAL 73 Ca 0.01 -0.76 0.08 0.00 -0.01 0.00 0.00 64.34 63.66 2e8p n VAL 73 Cb 0.48 -0.43 0.16 0.00 -0.91 0.00 0.00 33.84 33.14 2e8p n VAL 73 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2e8p n PHE 74 N -2.64 0.00 -4.92 3.52 3.72 -0.22 -3.61 117.46 113.31 2e8p n PHE 74 Ca -0.27 -1.14 0.00 0.00 -0.05 0.00 0.00 57.45 55.98 2e8p n PHE 74 Cb 1.04 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 2e8p n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2e8p n GLY 75 N -1.26 1.04 0.00 1.37 0.00 -0.86 -2.33 105.19 103.15 2e8p n GLY 75 Ca 0.17 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.65 2e8p n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e8p n PRO 76 N 0.00 0.15 0.18 1.61 -0.04 -1.26 -2.48 135.00 133.16 2e8p n PRO 76 Ca 0.00 0.18 0.05 0.00 -0.04 0.00 0.00 63.50 63.69 2e8p n PRO 76 Cb 0.00 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.21 2e8p n PRO 76 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2e8p h LEU 77 N 0.00 0.00 -0.95 1.53 5.85 -1.78 -3.23 115.31 116.72 2e8p h LEU 77 Ca 0.00 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.88 2e8p h LEU 77 Cb 0.17 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.10 2e8p h LEU 77 CO 0.00 0.39 0.55 1.23 -0.34 0.00 0.00 178.44 180.27 2e8p h GLY 78 N 2.56 1.63 0.40 3.75 0.00 -1.51 0.14 103.07 110.05 2e8p h GLY 78 Ca -0.00 -0.33 0.23 0.00 0.00 0.00 0.00 47.33 47.22 2e8p h GLY 78 CO 0.05 -0.02 0.58 -1.80 0.00 0.00 0.00 176.54 175.35 2e8p h ASP 79 N 0.75 0.01 0.49 0.19 3.58 -1.80 0.26 116.42 119.90 2e8p h ASP 79 Ca 0.53 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.68 2e8p h ASP 79 Cb 0.75 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.76 2e8p h ASP 79 CO -0.36 0.00 -1.67 1.56 -2.88 0.00 0.00 179.24 175.89 2e8p h GLN 80 N 0.01 0.05 -0.00 0.28 1.08 -0.96 -3.32 115.11 112.24 2e8p h GLN 80 Ca 0.38 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2e8p h GLN 80 Cb 1.52 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.98 2e8p h GLN 80 CO -0.01 0.68 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.48 2e8p h LEU 81 N 0.01 0.00 -0.78 1.46 3.38 -0.01 -3.21 115.31 116.17 2e8p h LEU 81 Ca -0.28 -0.50 0.14 0.00 0.09 0.00 0.00 57.88 57.34 2e8p h LEU 81 Cb 2.00 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.65 2e8p h LEU 81 CO 0.09 0.50 0.35 -0.74 0.09 0.00 0.00 178.44 178.73 2e8p h HIS 82 N -0.49 0.61 -0.65 1.13 2.76 -0.80 -0.72 115.15 116.99 2e8p h HIS 82 Ca 0.00 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.33 2e8p h HIS 82 Cb 0.50 -0.15 -0.09 0.00 1.55 0.00 0.00 27.41 29.22 2e8p h HIS 82 CO 0.10 0.12 0.18 0.00 -1.30 0.00 0.00 177.93 177.03 2e8p h ALA 83 N 1.54 0.82 -0.16 5.26 0.00 -1.65 0.15 119.26 125.22 2e8p h ALA 83 Ca 0.43 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.42 2e8p h ALA 83 Cb 0.61 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2e8p h ALA 83 CO -0.38 -0.27 -0.05 1.96 0.00 0.00 0.00 179.25 180.51 2e8p h GLN 84 N 0.32 0.32 -0.28 0.00 1.08 -1.18 -2.94 115.11 112.43 2e8p h GLN 84 Ca 0.35 -0.13 0.04 0.00 -1.45 0.00 0.00 58.65 57.46 2e8p h GLN 84 Cb 0.51 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 2e8p h GLN 84 CO -0.40 0.61 0.19 -0.07 -0.95 0.00 0.00 178.83 178.21 2e8p h LEU 85 N 0.02 0.17 -1.38 1.46 3.38 -0.51 -0.21 115.31 118.24 2e8p h LEU 85 Ca 0.04 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2e8p h LEU 85 Cb 0.49 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2e8p h LEU 85 CO 0.02 0.11 -0.30 0.03 0.09 0.00 0.00 178.44 178.39 2e8p h ARG 86 N 0.19 0.02 0.15 1.13 3.08 -0.55 -2.32 114.38 116.07 2e8p h ARG 86 Ca 0.12 -0.01 -0.30 0.00 0.07 0.00 0.00 59.98 59.87 2e8p h ARG 86 Cb 0.24 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.30 2e8p h ARG 86 CO -0.02 0.32 -1.38 -0.44 -1.07 0.00 0.00 179.97 177.38 2e8p h ASP 87 N 0.02 0.50 -0.07 7.04 5.19 -1.00 -1.87 116.42 126.22 2e8p h ASP 87 Ca 0.00 -0.57 -0.00 0.00 -0.62 0.00 0.00 57.03 55.84 2e8p h ASP 87 Cb 0.54 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 2e8p h ASP 87 CO 0.04 1.46 0.03 -0.07 -3.12 0.00 0.00 179.24 177.58 2e8p h LEU 88 N 0.09 0.08 0.23 1.55 3.38 -1.12 -3.33 115.31 116.19 2e8p h LEU 88 Ca -0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2e8p h LEU 88 Cb 2.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.75 2e8p h LEU 88 CO 0.21 0.17 -0.11 0.71 0.09 0.00 0.00 178.44 179.51 2e8p h THR 89 N -0.01 0.08 -3.52 0.22 1.35 -1.55 -3.43 112.91 106.05 2e8p h THR 89 Ca 0.02 -0.81 -0.62 0.00 -0.55 0.00 0.00 66.41 64.45 2e8p h THR 89 Cb 0.11 0.13 -0.13 0.00 -1.73 0.00 0.00 68.15 66.53 2e8p h THR 89 CO -0.00 0.02 0.42 -0.55 -0.25 0.00 0.00 175.52 175.16 2e8p s SER 90 N -5.22 6.40 -0.43 5.36 0.15 -0.70 -5.00 113.70 114.26 2e8p s SER 90 Ca -0.05 -0.18 0.03 0.00 0.70 0.00 0.00 55.95 56.45 2e8p s SER 90 Cb 0.00 -2.40 0.12 0.00 -1.71 0.00 0.00 66.02 62.03 2e8p s SER 90 CO 0.17 -1.01 0.16 -0.44 1.20 0.00 0.00 173.24 173.32 2e8p s SER 91 N 2.34 4.65 0.00 5.45 0.01 -1.26 -4.24 113.70 120.66 2e8p s SER 91 Ca 0.30 -2.52 0.32 0.00 1.31 0.00 0.00 55.95 55.36 2e8p s SER 91 Cb -0.12 -1.66 1.89 0.00 0.21 0.00 0.00 66.02 66.34 2e8p s SER 91 CO 0.22 -0.33 2.21 -1.20 0.41 0.00 0.00 173.24 174.54